methyl 2-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22BrF3N4O2S2 MolecularWeight: 539.43279

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)C(=O)OC

InChI

InChI=1S/C19H22BrF3N4O2S2/c1-3-11-9-12(17(28)29-2)16(31-11)25-18(30)24-7-4-8-27-14(10-5-6-10)13(20)15(26-27)19(21,22)23/h9-10H,3-8H2,1-2H3,(H2,24,25,30)